N4-Acetylcytosine

C₆H₇N₃O₂CAS 14631-20-0153.14 g/mol

Open in Covalent MOL file

Amide

Properties

Molecular formula: C₆H₇N₃O₂
Molar mass: 153.14 g/mol
Exact mass: 153.0538 Da
logP: -0.27Crippen estimate
Polar surface area: 74.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14631-20-0

SMILES

CC(=O)NC1=CC=NC(=O)N1

InChIKey

IJCKBIINTQEGLY-UHFFFAOYSA-N

InChI

InChI=1S/C6H7N3O2/c1-4(10)8-5-2-3-7-6(11)9-5/h2-3H,1H3,(H2,7,8,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with N4-Acetylcytosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(2-Chloropyridin-4-yl)acetamide13602-82-946 % similar 4-Methylpyrimidin-2-ol hydrochloride15231-48-844 % similar 3-Acetamidopyridine5867-45-839 % similar 2-Hydroxy-4-(trifluoromethyl)pyrimidine104048-92-238 % similar 2-Acetamido-5-fluoropyridine100304-88-937 % similar 2-Acetamido-5-aminopyridine29958-14-337 % similar 2-Acetamido-5-bromopyridine7169-97-337 % similar N-(6-Aminopyridin-2-yl)acetamide1075-62-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Nitrophenyl)hydrazine100-16-3 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-9 6-Hydrazinonicotinic acid133081-24-0 5-Aminopyrazine-2-carboxylic acid methyl ester13924-94-2 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-6 2-Amino-3-methyl-5-nitropyridine18344-51-9 2-Amino-3-nitro-6-picoline21901-29-1 2-Amino-5-nitro-4-picoline21901-40-6

Elsewhere

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